(Z)-3-[5-bromanyl-2-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[5-bromanyl-2-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[5-bromo-2-[2-(diethylammonio)ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[5-bromo-2-[2-(diethylammonio)ethoxy]-3-methoxyphenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[5-bromo-2-[2-(diethylazaniumyl)ethoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[5-bromo-2-[2-(diethylammonio)ethoxy]-3-methoxy-phenyl]-2-cyano-acrylate Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1C=C(C#N)C(=O)[O-])Br)OC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1/C=C(/C#N)\C(=O)[O-])Br)OC

InChI

InChI=1S/C17H21BrN2O4/c1-4-20(5-2)6-7-24-16-12(8-13(11-19)17(21)22)9-14(18)10-15(16)23-3/h8-10H,4-7H2,1-3H3,(H,21,22)/b13-8-